5-chloro-N-(6-chloropyridazin-4-yl)-2-[2-fluoro-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethyl)benzamide

C19H8Cl2F7N3O3 — CID 154982264

IUPAC5-chloro-N-(6-chloropyridazin-4-yl)-2-[2-fluoro-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cnnc(Cl)c1)c1cc(Cl)c(C(F)(F)F)cc1Oc1ccc(OC(F)(F)F)cc1F
InChIInChI=1S/C19H8Cl2F7N3O3/c20-12-5-10(17(32)30-8-3-16(21)31-29-7-8)15(6-11(12)18(23,24)25)33-14-2-1-9(4-13(14)22)34-19(26,27)28/h1-7H,(H,30,31,32)
InChIKeyBSFLUILWPUCKMM-UHFFFAOYSA-N
MW530.18 g/mol
LogP6.88
Rot. Bonds5

About 5-chloro-N-(6-chloropyridazin-4-yl)-2-[2-fluoro-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethyl)benzamide

5-chloro-N-(6-chloropyridazin-4-yl)-2-[2-fluoro-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethyl)benzamide (PubChem CID 154982264) has the molecular formula C19H8Cl2F7N3O3 and a molecular weight of 530.18 g/mol. Its IUPAC name is 5-chloro-N-(6-chloropyridazin-4-yl)-2-[2-fluoro-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-chloro-N-(6-chloropyridazin-4-yl)-2-[2-fluoro-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethyl)benzamide
PubChem CID154982264
Molecular FormulaC19H8Cl2F7N3O3
Molecular Weight530.18 g/mol
Exact Mass528.98
IUPAC Name5-chloro-N-(6-chloropyridazin-4-yl)-2-[2-fluoro-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cnnc(Cl)c1)c1cc(Cl)c(C(F)(F)F)cc1Oc1ccc(OC(F)(F)F)cc1F
InChIInChI=1S/C19H8Cl2F7N3O3/c20-12-5-10(17(32)30-8-3-16(21)31-29-7-8)15(6-11(12)18(23,24)25)33-14-2-1-9(4-13(14)22)34-19(26,27)28/h1-7H,(H,30,31,32)
InChIKeyBSFLUILWPUCKMM-UHFFFAOYSA-N
XLogP6.88
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.18
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-Chloro-2-fluoro-6-[2-methyl-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide
CID 154644943
4-[[3-Chloro-2-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide
CID 154644984
Nav1.8-IN-7
CID 167111969
5-Chloro-4-[(3,3-difluoro-1-pyrrolidinyl)carbonyl]-2-[(phenylmethyl)oxy]-N-4-pyridazinylbenzamide
CID 66635742
2-{[(4-Fluorophenyl)methyl]oxy}-N-4-pyridazinyl-5-(trifluoromethyl)benzamide
CID 70451363
2-[(4-fluorophenyl)methoxy]-N-pyridazin-4-ylbenzamide
CID 151011026
5-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide
CID 153631957
4-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide
CID 154982247
N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide
CID 154982249
4,5-dichloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methoxyphenoxy)benzamide
CID 154982250
5-chloro-2-(2-ethyl-4-fluorophenoxy)-N-(2-methoxy-4-pyridinyl)-4-(trifluoromethyl)benzamide
CID 156050830
5-chloro-2-(4-fluoro-2-methylphenoxy)-N-(2-methoxy-4-pyridinyl)-4-(trifluoromethyl)benzamide
CID 156050831

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(6-chloropyridazin-4-yl)-2-[2-fluoro-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethyl)benzamide?
The IUPAC name of 5-chloro-N-(6-chloropyridazin-4-yl)-2-[2-fluoro-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethyl)benzamide (CID 154982264) is 5-chloro-N-(6-chloropyridazin-4-yl)-2-[2-fluoro-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-chloro-N-(6-chloropyridazin-4-yl)-2-[2-fluoro-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 5-chloro-N-(6-chloropyridazin-4-yl)-2-[2-fluoro-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethyl)benzamide is O=C(Nc1cnnc(Cl)c1)c1cc(Cl)c(C(F)(F)F)cc1Oc1ccc(OC(F)(F)F)cc1F.
What is the InChIKey of 5-chloro-N-(6-chloropyridazin-4-yl)-2-[2-fluoro-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethyl)benzamide?
The InChIKey is BSFLUILWPUCKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H8Cl2F7N3O3/c20-12-5-10(17(32)30-8-3-16(21)31-29-7-8)15(6-11(12)18(23,24)25)33-14-2-1-9(4-13(14)22)34-19(26,27)28/h1-7H,(H,30,31,32).
What are the key properties of 5-chloro-N-(6-chloropyridazin-4-yl)-2-[2-fluoro-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethyl)benzamide?
5-chloro-N-(6-chloropyridazin-4-yl)-2-[2-fluoro-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethyl)benzamide has a molecular weight of 530.18 g/mol, XLogP of 6.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(6-chloropyridazin-4-yl)-2-[2-fluoro-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 154982264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).